BDBM6866 1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3b::4-({5-amino-1-[(2,6-difluorophenyl)carbonyl]-1H-1,2,4-triazol-3-yl}amino)benzene-1-sulfonamide::4-[[5-Amino-1-(2,6-difluorobenzoyl)-1H-1,2,4-triazol-3-yl]amino]-benzenesulfonamide::CHEMBL191003::JNJ-7706621::cid_5330790

SMILES Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)c1c(F)cccc1F

InChI Key InChIKey=KDKUVYLMPJIGKA-UHFFFAOYSA-N

Data  11 KI  30 IC50  477 Kd

PDB links: 14 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 31 hits for monomerid = 6866   

TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM6866(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3b ...)
Affinity DataKi:  2.20E+5nMAssay Description:Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...More data for this Ligand-Target Pair
TargetcAMP-dependent protein kinase catalytic subunit alpha(Bos taurus (bovine))
Johnson & Johnson Pharmaceutical

LigandPNGBDBM6866(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3b ...)
Affinity DataIC50: >1.00E+5nMAssay Description:The enzyme was assayed with a biotinylated peptide substrate and test compounds in the presence of 10 uM ATP/[gamma-33P]ATP in a streptavidin coated...More data for this Ligand-Target Pair
TargetAurora kinase A(Homo sapiens (Human))
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM6866(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3b ...)
Affinity DataKd:  250nMpH: 7.4 T: 2°CAssay Description:Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...More data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase 25(Homo sapiens (Human))
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM6866(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3b ...)
Affinity DataKd:  360nMAssay Description:Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...More data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase 24(Homo sapiens (Human))
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM6866(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3b ...)
Affinity DataKd:  180nMAssay Description:Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...More data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase 26(Homo sapiens (Human))
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM6866(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3b ...)
Affinity DataKd:  210nMAssay Description:Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...More data for this Ligand-Target Pair
TargetcAMP-dependent protein kinase catalytic subunit alpha(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM6866(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3b ...)
Affinity DataKd: >1.00E+4nMAssay Description:Binding constant for PKAC-alpha kinase domainMore data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase 26(Homo sapiens (Human))
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM6866(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3b ...)
Affinity DataKd:  210nMAssay Description:Binding constant for full-length MST4More data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase 24(Homo sapiens (Human))
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM6866(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3b ...)
Affinity DataKd:  180nMAssay Description:Binding constant for MST3 kinase domainMore data for this Ligand-Target Pair
TargetcAMP-dependent protein kinase catalytic subunit beta(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM6866(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3b ...)
Affinity DataKd: >1.00E+4nMAssay Description:Binding constant for full-length PKAC-betaMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM6866(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3b ...)
Affinity DataKd:  220nMAssay Description:Binding constant for JAK2(Kin.Dom.2/JH1 - catalytic) kinase domainMore data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase 25(Homo sapiens (Human))
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM6866(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3b ...)
Affinity DataKd:  360nMAssay Description:Binding constant for YSK1 kinase domainMore data for this Ligand-Target Pair
TargetAurora kinase A(Homo sapiens (Human))
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM6866(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3b ...)
Affinity DataKd:  250nMAssay Description:Binding constant for AURKA kinase domainMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM6866(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3b ...)
Affinity DataKd:  220nMAssay Description:Binding affinity to JAK2More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM6866(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3b ...)
Affinity DataKd:  800nMAssay Description:Binding affinity to wild type JAK2 JH2 domain (unknown origin) by competitive fluorescence polarization assayMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM6866(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3b ...)
Affinity DataKd:  220nMAssay Description:Binding affinity to JAK2 JH1 domain (unknown origin)More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM6866(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3b ...)
Affinity DataKd:  31nMAssay Description:Binding affinity to N-terminal TEV-cleavable hexa-histidine tagged human JAK2 JH1 domain (840 to 1132 residues) expressed in baculovirus-infected Sf9...More data for this Ligand-Target Pair
TargetAurora kinase A(Homo sapiens (Human))
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM6866(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3b ...)
Affinity DataIC50:  11nMAssay Description:Inhibition of NH2-terminal GST-tagged recombinant human Aurora A kinase (118-403 residues) expressed in baculovirusMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM6866(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3b ...)
Affinity DataKd:  456nMAssay Description:Binding affinity to wild type human C-terminal thrombin cleavage site-fused/ 6xHis-tagged JAK2 JH2 pseudokinase domain (536 to 812 residues) expresse...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM6866(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3b ...)
Affinity DataKd:  670nMAssay Description:Binding affinity to wild type human N-terminal TEV cleavage site-fused/His6-tagged JAK2 JH1 domain (840 to 1132 residues) expressed in baculovirus in...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM6866(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3b ...)
Affinity DataKd:  220nMAssay Description:Binding affinity to human JAK2 (kinase domain 2/JH1 catalytic domain) by competitive binding assayMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM6866(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3b ...)
Affinity DataKd:  490nMAssay Description:Binding affinity to wild type human C-terminal thrombin cleavage site-fused/ 6xHis-tagged JAK2 JH2 pseudokinase domain (536 to 812 residues) expresse...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM6866(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3b ...)
Affinity DataIC50:  2.96E+3nMAssay Description:Inhibition of wild type full length human JAK2 (1 to 1132 residues) autophosphorylation expressed in HEK293T cells incubated in buffer with compound ...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM6866(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3b ...)
Affinity DataKd:  600nMAssay Description:Binding affinity to human C-terminal thrombin cleavage site-fused/ 6xHis-tagged JAK2 JH2 pseudokinase domain V617F mutant (536 to 812 residues) expre...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM6866(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3b ...)
Affinity DataKd:  94nMAssay Description:Binding affinity to human C-terminal His8-tagged JAK2 pseudokinase (513 to 827 residues) expressed in baculovirus infected Hi-5 cells by intrinsic tr...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM6866(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3b ...)
Affinity DataIC50:  1.11E+4nMAssay Description:Inhibition of full length human C-terminal FLAG-tagged JAK2 V617F mutant (1 to 1132 residues) autophosphorylation expressed in HEK293T cells incubate...More data for this Ligand-Target Pair
TargetAurora kinase A(Homo sapiens (Human))
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM6866(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3b ...)
Affinity DataIC50:  11nMAssay Description:Inhibition of Aurora A (unknown origin) using peptide substrateMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM6866(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3b ...)
Affinity DataKd:  460nMAssay Description:Binding affinity to wild type JAK2 JH2 pseudokinase domain (unknown origin) expressed in Sf9 cells and measured upto 30 mins by competitive fluoresce...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM6866(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3b ...)
Affinity DataKd:  456nMAssay Description:Binding affinity to JAK2 JH2 (unknown origin) expressed in baculovirus infected Sf9 cells assessed as dissociation constant measured upto 30 mins in ...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM6866(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3b ...)
Affinity DataIC50:  1nMAssay Description:Inhibition of JAK2 JH2 V617F mutant in human HEL cells assessed as reduction in STAT5 phosphorylation at 0.5 to 25 uM measured after 1 hrs by Western...More data for this Ligand-Target Pair
TargetAurora kinase A(Homo sapiens (Human))
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM6866(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3b ...)
Affinity DataIC50:  11nMAssay Description:Inhibition of Aurora A (unknown origin)More data for this Ligand-Target Pair